People

Head of the Group

Carolin Müller, Jun.-Prof.
E-Mail:  carolin.cpc.mueller@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.201B

Isabelle Schraufstetter, secretary
E-Mail:  ccc@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.111
Phone:  09131-85-20400

Researcher

Debabrata Halder, Postdoctoral Researcher (EAM Starting Grant)
E-Mail:  debabrata.halder@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.306

Kevin Höllring, Postdoctoral Researcher (ChemPrint, CRC 1719)
E-Mail:  kevin.hoellring@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.306

Theodor Everley Röhrkasten, PhD student
E-Mail:  theodor.roehrkasten@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.306

Martina Hartinger, PhD student (FCI Kekulé Fellowship)
E-Mail:  martina.hartinger@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.306

Shi Hui Wong, PhD student (ChemPrint, CRC 1719)
E-Mail:  shi.wong@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.306

Cansun Saglam, research/conference assistant (CCSC 2026)
E-Mail:  cansun.saglam@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.306

Chemical Compound Space Conference 2026

Connor Forster, research assistant
E-Mail:  connor.forster@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.306

Tobias Werner, research assistant
E-Mail:  tobias.werner@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.306

Undergraduate and Graduate Students

Vipul Kumar Ambasta, master student
E-Mail:  vipul.kumar.ambasta@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.306

M. Sc. Advanced Materials and Processes

Fariba Mohammadipour, master student
E-Mail:  fariba.mohammadipour@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.306

M. Sc. Artificial Intelligence

Mohammad Saad Khan, master student
E-Mail:  mohammad.s.khan@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.306

M. Sc. Artificial Intelligence

Qingwen Pang, master student
E-Mail:  qingwen.pang@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.306

M. Sc. Artificial Intelligence

Mohammad Madahian, master student
E-Mail:  mohammad.madahian@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.306

M. Sc. Artificial Intelligence

Completed Theses

M. Sc. Chemie / Chemistry

  • Shi Hui Wong (‘Rational Design of Perylene-Rhodium Photocatalysts: A Computational Investigation‘)

Completed Theses

B. Sc. Chemie

  • Katharina Fuchs (Substituent Effects on the Photoisomerization of Aza-Diarylethenes: A Theoretical Study)
  • Connor Forster (Revisiting Woodward-Fieser-Kuhn Rules and Acridine Cyclo-Annulation for efficient Prediction of Absorption Maxima)
  • Dario Karlovic (Theoretical Insights into the light-driven intramolecular [3+2] cycloaddition towards Chromenopyrazoles)
  • Tobias Werner (Combining Active Learning and Excited State Machine Learning Force Fields for the Optimization of Data Acquisition to Describe Photoisomerization)

Alumni

Nathan Pierrat (master student @ ENS Paris-Saclay)

Julia Ngo (master student @ RWTH Aachen)